3-(6-phenoxy-3-pyridinyl)prop-2-enoic acid

C14H11NO3 — CID 2797743

IUPAC3-(6-phenoxy-3-pyridinyl)prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C14H11NO3/c16-14(17)9-7-11-6-8-13(15-10-11)18-12-4-2-1-3-5-12/h1-10H,(H,16,17)
InChIKeyTWPKEZACBDVQNY-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.97
Rot. Bonds4

About 3-(6-phenoxy-3-pyridinyl)prop-2-enoic acid

3-(6-phenoxy-3-pyridinyl)prop-2-enoic acid (PubChem CID 2797743) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-(6-phenoxy-3-pyridinyl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(6-phenoxy-3-pyridinyl)prop-2-enoic acid
PubChem CID2797743
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name3-(6-phenoxy-3-pyridinyl)prop-2-enoic acid
SMILESO=C(O)C=Cc1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C14H11NO3/c16-14(17)9-7-11-6-8-13(15-10-11)18-12-4-2-1-3-5-12/h1-10H,(H,16,17)
InChIKeyTWPKEZACBDVQNY-UHFFFAOYSA-N
XLogP2.97
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Fluazifop
CID 91701
4-(5-Trifluoromethyl-pyridin-2-yloxy)-phenol
CID 155241
Fluazifop-P
CID 91733
2-Phenoxynicotinonitrile
CID 84242
2-Phenoxynicotinic acid
CID 123450
3-Pyridinecarboxylic acid, 2-phenoxy-, methyl ester
CID 215890
Nicotinic acid, 3-methylphenyl ester
CID 532681
4-Methoxyphenyl nicotinate
CID 532682
[2-(4-Fluorophenoxy)pyridin-4-yl]methanamine
CID 16794320
(2-Phenoxypyridin-4-yl)methanamine hydrochloride
CID 122163387
4-Methylphenyl pyridine-3-carboxylate
CID 735961
Phenyl 3-pyridinecarboxylate
CID 77018

Frequently Asked Questions

What is the IUPAC name of 3-(6-phenoxy-3-pyridinyl)prop-2-enoic acid?
The IUPAC name of 3-(6-phenoxy-3-pyridinyl)prop-2-enoic acid (CID 2797743) is 3-(6-phenoxy-3-pyridinyl)prop-2-enoic acid.
What is the SMILES notation for 3-(6-phenoxy-3-pyridinyl)prop-2-enoic acid?
The canonical SMILES for 3-(6-phenoxy-3-pyridinyl)prop-2-enoic acid is O=C(O)C=Cc1ccc(Oc2ccccc2)nc1.
What is the InChIKey of 3-(6-phenoxy-3-pyridinyl)prop-2-enoic acid?
The InChIKey is TWPKEZACBDVQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c16-14(17)9-7-11-6-8-13(15-10-11)18-12-4-2-1-3-5-12/h1-10H,(H,16,17).
What are the key properties of 3-(6-phenoxy-3-pyridinyl)prop-2-enoic acid?
3-(6-phenoxy-3-pyridinyl)prop-2-enoic acid has a molecular weight of 241.25 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-phenoxy-3-pyridinyl)prop-2-enoic acid is sourced from PubChem (CID 2797743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).